3-(2-Nitrophenyl)pentane-2,4-dione
TL;DR: 3-(2-Nitrophenyl)pentane-2,4-dione (CAS 89185-84-2) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-nitrophenyl)pentane-2,4-dione
Also Known As: 3-(2-nitrophenyl)pentane-2,4-dione, 2,4-Pentanedione, 3-(2-nitrophenyl)-, 3-(2-Nitrophenyl)-2,4-pentanedione
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 1.8564 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 439.0527 |
Chemical Identifiers
| CAS Number | 89185-84-2 |
|---|---|
| SMILES | CC(=O)C(C1=CC=CC=C1[N+](=O)[O-])C(=O)C |
Product Overview
3-(2-Nitrophenyl)pentane-2,4-dione (CAS 89185-84-2), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: 3-(2-nitrophenyl)pentane-2,4-dione.
Chemical Property Profile of 3-(2-Nitrophenyl)pentane-2,4-dione
Property Insights of 3-(2-Nitrophenyl)pentane-2,4-dione
The XLogP value of 1.8564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Nitrophenyl)pentane-2,4-dione. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Nitrophenyl)pentane-2,4-dione. Following Lipinski's Rule of Five, 3-(2-Nitrophenyl)pentane-2,4-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-Nitrophenyl)pentane-2,4-dione?
The CAS number of 3-(2-Nitrophenyl)pentane-2,4-dione is 89185-84-2.
What is the molecular formula of 3-(2-Nitrophenyl)pentane-2,4-dione?
The molecular formula of 3-(2-Nitrophenyl)pentane-2,4-dione is C11H11NO4.
What is the molecular weight of 3-(2-Nitrophenyl)pentane-2,4-dione?
The molecular weight of 3-(2-Nitrophenyl)pentane-2,4-dione is 221.07 g/mol.
Where can I buy 3-(2-Nitrophenyl)pentane-2,4-dione?
You can request a quote for 3-(2-Nitrophenyl)pentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Nitrophenyl)pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Nitrophenyl)pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.